4-Hydroxy-7-(trifluoromethoxy)quinazoline - CAS 1260759-77-0
Catalog: |
BB006366 |
Product Name: |
4-Hydroxy-7-(trifluoromethoxy)quinazoline |
CAS: |
1260759-77-0 |
Synonyms: |
7-(trifluoromethoxy)-3H-quinazolin-4-one; 7-(trifluoromethoxy)-3H-quinazolin-4-one |
IUPAC Name: | 7-(trifluoromethoxy)-3H-quinazolin-4-one |
Description: | 4-Hydroxy-7-(trifluoromethoxy)quinazoline (CAS# 1260759-77-0) is a useful research chemical. |
Molecular Weight: | 230.14 |
Molecular Formula: | C9H5F3N2O2 |
Canonical SMILES: | C1=CC2=C(C=C1OC(F)(F)F)N=CNC2=O |
InChI: | InChI=1S/C9H5F3N2O2/c10-9(11,12)16-5-1-2-6-7(3-5)13-4-14-8(6)15/h1-4H,(H,13,14,15) |
InChI Key: | FYRMBJHYCWXLKD-UHFFFAOYSA-N |
LogP: | 1.82170 |
Publication Number | Title | Priority Date |
WO-2020246487-A1 | Compounds having dispiro diketopiperazine structure | 20190604 |
Complexity: | 316 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 230.03031189 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 230.03031189 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 50.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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